On the kashiwagi–sasaki generalization of the löwdin orthogonalization and the inverse vibrational problem
N. F. Stepanov · International Journal of Quantum Chemistry · 1977
Abstract By use of the pseudo‐inverse matrix technique the generalization of the Löwdin orthogonalization, given by Kashiwagi and Sasaki, is shown to be valid in a case of singular metric matrices for two basis sets of functions. The application of the same idea to the inverse vibrational problem brings about new procedures for solving this problem in an iterative way.